论文标题

高精度原子数据和计算的门户:设计和最佳实践

A Portal for High-Precision Atomic Data and Computation: Design and Best Practices

论文作者

Barakhshan, Parinaz, Bhosale, Akshay, Kiruga, Amani, Eigenmann, Rudolf, Safronova, Marianna S., Arora, Bindiya

论文摘要

Atom门户网站Udel.edu/atom为科学界提供了有关原子和离子特性的易于访问的高质量数据,例如能量,过渡矩阵元素,过渡速率,辐射寿命,分支比率,分支比率,极化率和超细胞常数。数据是使用高精度最先进的线性耦合群集方法计算的,在可用的地方使用高精度实验值。所有值都包括估计的不确定性。在可用的地方,提供了参考的实验结果。本文概述了该门户网站,并描述了设计以及应用的软件工程实践。

The Atom portal, udel.edu/atom, provides the scientific community with easily accessible high-quality data about properties of atoms and ions, such as energies, transition matrix elements, transition rates, radiative lifetimes, branching ratios, polarizabilities, and hyperfine constants. The data are calculated using a high-precision state-of-the-art linearized coupled-cluster method, high-precision experimental values are used where available. All values include estimated uncertainties. Where available, experimental results are provided with references. This paper provides an overview of the portal and describes the design as well as applied software engineering practices.

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